SCHEMBL5575309

SCHEMBL5575309

CC(C(=O)OC1CCCCCCCCC1)=C(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
NAAA Q02083 2/20 0.41
HTT P42858 3/20 0.40
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 4/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GPR35 Q9HC97 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1274887 1.00 EPHX1 (0.44) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL2689440 0.85 EPHX1 (0.44) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117612 0.85 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27085762 0.82 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL28341222 0.81 EPHX1 (0.43) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL151734 0.80 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117736 0.80 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117767 0.80 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL2201762 0.79 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27603161 0.79 EPHX1 (0.44) EPHX1NAAAHTTCYP2C19CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070160937-A1 Photocurable resin composition and a method for forming a pattern HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-07-12 US disclosed